methyl N-(4-aminophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: methyl N-(4-aminophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 1-(4-aminophenyl)sulfonyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-isothiourea CAS Name: N-(4-aminophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-aminophenyl)sulfonyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 3-homoveratryl-2-methyl-1-sulfanilyl-isothiourea Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(NS(=O)(=O)C2=CC=C(C=C2)N)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(NS(=O)(=O)C2=CC=C(C=C2)N)SC)OC

InChI

InChI=1S/C18H23N3O4S2/c1-24-16-9-4-13(12-17(16)25-2)10-11-20-18(26-3)21-27(22,23)15-7-5-14(19)6-8-15/h4-9,12H,10-11,19H2,1-3H3,(H,20,21)